N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C26H24N2O4 — CID 51070232

IUPACN-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)Cc2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C26H24N2O4/c1-30-23-13-11-20(12-14-23)26(29)28(17-19-7-4-3-5-8-19)18-22-16-25(32-27-22)21-9-6-10-24(15-21)31-2/h3-16H,17-18H2,1-2H3
InChIKeyIYBOPYOVNQFEDE-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.20
Rot. Bonds8

About N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 51070232) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID51070232
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)Cc2cc(-c3cccc(OC)c3)on2)cc1
InChIInChI=1S/C26H24N2O4/c1-30-23-13-11-20(12-14-23)26(29)28(17-19-7-4-3-5-8-19)18-22-16-25(32-27-22)21-9-6-10-24(15-21)31-2/h3-16H,17-18H2,1-2H3
InChIKeyIYBOPYOVNQFEDE-UHFFFAOYSA-N
XLogP5.20
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
N-benzyl-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-methylpropanamide
CID 42822314
N-benzyl-2-methoxy-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 46141678
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 51070823
3-butyl-1-[(4-fluorophenyl)methyl]-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111755
2-(4-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylacetamide
CID 46111582
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
N-benzyl-N-(2-hydroxyethyl)-1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90503672

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 51070232) is N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1ccc(C(=O)N(Cc2ccccc2)Cc2cc(-c3cccc(OC)c3)on2)cc1.
What is the InChIKey of N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is IYBOPYOVNQFEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-23-13-11-20(12-14-23)26(29)28(17-19-7-4-3-5-8-19)18-22-16-25(32-27-22)21-9-6-10-24(15-21)31-2/h3-16H,17-18H2,1-2H3.
What are the key properties of N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 51070232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).